methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate

C13H24N2O3 — CID 93373232

IUPACmethyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)[C@H]1CCCN1
InChIInChI=1S/C13H24N2O3/c1-10(2)9-15(8-6-12(16)18-3)13(17)11-5-4-7-14-11/h10-11,14H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyGWICMYRTFYOHJK-LLVKDONJSA-N
MW256.35 g/mol
LogP0.79
Rot. Bonds6

About methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate

methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate (PubChem CID 93373232) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
PubChem CID93373232
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)[C@H]1CCCN1
InChIInChI=1S/C13H24N2O3/c1-10(2)9-15(8-6-12(16)18-3)13(17)11-5-4-7-14-11/h10-11,14H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyGWICMYRTFYOHJK-LLVKDONJSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate (CID 93373232) is methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)[C@H]1CCCN1.
What is the InChIKey of methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate?
The InChIKey is GWICMYRTFYOHJK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)9-15(8-6-12(16)18-3)13(17)11-5-4-7-14-11/h10-11,14H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate?
methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate has a molecular weight of 256.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 93373232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).